3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline

C15H25N3O — CID 82036988

IUPAC3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline
SMILESCC(CCN1CCN(C)CC1)Oc1cccc(N)c1
InChIInChI=1S/C15H25N3O/c1-13(19-15-5-3-4-14(16)12-15)6-7-18-10-8-17(2)9-11-18/h3-5,12-13H,6-11,16H2,1-2H3
InChIKeyARASAMYUBBEQRL-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.67
Rot. Bonds5

About 3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline

3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline (PubChem CID 82036988) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline
PubChem CID82036988
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline
SMILESCC(CCN1CCN(C)CC1)Oc1cccc(N)c1
InChIInChI=1S/C15H25N3O/c1-13(19-15-5-3-4-14(16)12-15)6-7-18-10-8-17(2)9-11-18/h3-5,12-13H,6-11,16H2,1-2H3
InChIKeyARASAMYUBBEQRL-UHFFFAOYSA-N
XLogP1.67
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]phenyl]methanamine
CID 82037299
3-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 82036982
3-heptan-2-yloxyaniline
CID 91558266
N-methyl-4-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline
CID 82037176
2-(3-aminophenoxy)propan-1-ol
CID 130503390
4-chloro-2-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline
CID 82037680
1-[3-(3-butan-2-yloxyphenoxy)propyl]-4-methylpiperazine;hydrochloride
CID 2994067
4-[4-(azepan-1-yl)butan-2-yloxy]-2-methylaniline
CID 82037200
3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline
CID 43174249
3-[2-(4-butan-2-ylpiperazin-1-yl)ethoxy]aniline
CID 62774777
3-[4-(3-methylbutyl)piperazin-1-yl]sulfonylaniline
CID 61141113
1-[3-(3,4-difluorophenoxy)butyl]piperidine
CID 173309705

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline (CID 82036988) is 3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline is CC(CCN1CCN(C)CC1)Oc1cccc(N)c1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline?
The InChIKey is ARASAMYUBBEQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(19-15-5-3-4-14(16)12-15)6-7-18-10-8-17(2)9-11-18/h3-5,12-13H,6-11,16H2,1-2H3.
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline?
3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline has a molecular weight of 263.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline is sourced from PubChem (CID 82036988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).